SCHEMBL3816648

SCHEMBL3816648

Cc1cc(C)n(C)c(=S)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 3/20 0.41
APOBEC3G Q9HC16 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MPI P34949 1/20 0.41
PIK3CG P48736 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 2/20 0.33
GLS O94925 1/20 0.33
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3118247 0.71 HSD17B10 (0.53) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL8871239 0.60 NOS3 (0.33)
SCHEMBL15772874 0.60 HSD17B10 (0.52) ALDH1A1KDM4EHSD17B10ALOX15APOBEC3G
SCHEMBL23635739 0.60 MAPT (0.33) ALDH1A1MAPTLMNA
SCHEMBL4394601 0.59 ALDH1A1 (0.31) ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL8673328 0.58
SCHEMBL5039837 0.58 CASP1 (0.38) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL147208 0.58
SCHEMBL17427791 0.58 MEN1 (0.42) ALDH1A1KDM4EHSD17B10ALOX15MAPT
SCHEMBL23097832 0.58 ALDH1A1 (0.33) ALDH1A1GLS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233998-B1 SILICONE COMPOSITIONS FOR PERSONAL CARE PRODUCTS AND METHODS FOR MAKING MOMENTIVE PERFORMANCE MAT INC (US) 2009-08-05 EP disclosed
EP-1172398-B1 Silicone compositions for personal care products and method for making GEN ELECTRIC (US) 2007-04-04 EP disclosed
US-6849265-B2 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2005-02-01 US disclosed
US-6849264-B2 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2005-02-01 US disclosed
US-6844002-B2 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2005-01-18 US disclosed
US-6841164-B2 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2005-01-11 US disclosed
US-6752984-B2 FOR HAIR CONDITIONING GENERAL ELECTRIC COMPANY 2004-06-22 US disclosed
US-20030103928-A1 Silicone compositions for personal care products and method for making MOMENTIVE PERFORMANCE MATERIALS INC. 2003-06-05 US disclosed
EP-1172411-B1 Silicone compositions for personal care products and method of manufacture GEN ELECTRIC (US) 2003-06-04 EP disclosed
US-20030095939-A1 Silicone connected to a heterocyclic trimethylpyrimidinium compound through a linker to improve adhesion to fibers such as hair and textiles. MOMENTIVE PERFORMANCE MATERIALS INC. 2003-05-22 US disclosed
US-20030086891-A1 Silicone compositions for personal care products and method for making MOMENTIVE PERFORMANCE MATERIALS INC. 2003-05-08 US disclosed
US-6506371-B1 Polysiloxane linked to such as a quaternary pyridinium, triazinium, pyrimidinium or pyrazine group; durable treatment of damaged hair GENERAL ELECTRIC COMPANY 2003-01-14 US disclosed
US-6488921-B1 HAIR CONDITIONERS; POLYSILOXANE OR SILICONE RESIN, AT LEAST ONE LINKER, AND AT LEAST ONE MOLECULAR HOOK THAT COMPROMISES A HETEROCYCLIC TRIMETHYLPYRIMIDINIUM COMPOUND GENERAL ELECTRIC COMPANY 2002-12-03 US disclosed
EP-1233998-A1 SILICONE COMPOSITIONS FOR PERSONAL CARE PRODUCTS AND METHODS FOR MAKING GENERAL ELECTRIC COMPANY (US) 2002-08-28 EP disclosed
US-6390102-B1 HAIR COSMETIC GENERAL ELECTRIC COMPANY 2002-05-21 US disclosed
WO-2002006382-A1 SILICONE COMPOSITIONS FOR PERSONAL CARE PRODUCTS AND METHODS FOR MAKING GENERAL ELECTRIC COMPANY (US) 2002-01-24 WO disclosed
EP-1172398-A2 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2002-01-16 EP disclosed
EP-1172411-A1 Silicone compositions for personal care products and method for making GENERAL ELECTRIC COMPANY (US) 2002-01-16 EP disclosed
EP-0431331-B1 THERMOSETTING MIXTURES OF MATERIALS BASF Aktiengesellschaft (DE) 1993-05-05 EP disclosed
EP-0431331-A1 Thermosetting mixtures of materials BASF Aktiengesellschaft (DE) 1991-06-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030095939-A1 Silicone connected to a heterocyclic trimethylpyrimidinium compound through a linker to improve adhesion to fibers such as hair and textiles. SMC4, VIM, SMC2 ALDH1A1 3385/4885KDM4E 466/4885HSD17B10 3233/4885
US-20030103928-A1 Silicone compositions for personal care products and method for making TERT, KAT7, TERB1 ALDH1A1 4678/4885KDM4E 772/4885HSD17B10 3539/4885
US-20030086891-A1 Silicone compositions for personal care products and method for making TERT, KAT7, TERB1 ALDH1A1 4678/4885KDM4E 772/4885HSD17B10 3539/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.